Download model/CombinatorialAssembler/libs_DockingLib/connolly_surface.h from OneScience-Group/CombFold: direct link, hf CLI and curl.
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617 Bytes
| /** The algorithm is taken from Connolly's original MS program, which is | |
| freely distributable and Copyright 1983, Michael Connolly. | |
| M.L. Connolly, "Solvent-accessible surfaces of proteins and nucleic acids", | |
| Science, 221, p709-713 (1983). | |
| M.L. Connolly, "Analytical molecular surface calculation", | |
| J. Appl. Cryst. 16, p548-558 (1983). | |
| */ | |
| Surface get_connolly_surface(const ChemMolecule& molecule, | |
| float density, float probe_radius); | |